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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM330918'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM330918
PNG
(US9725445, 3-99)
Show SMILES NS(=O)(=O)c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1
Show InChI InChI=1S/C18H18N6O3S/c19-10-11-2-1-3-14(11)24-15-8-9-21-18(25)16(15)17(23-24)22-12-4-6-13(7-5-12)28(20,26)27/h4-9,11,14H,1-3H2,(H,21,25)(H,22,23)(H2,20,26,27)/t11-,14+/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

More data for this
Ligand-Target Pair